5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide

C11H20N2O2S3 — CID 114141371

IUPAC5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)CSC)cs1
InChIInChI=1S/C11H20N2O2S3/c1-9(7-16-3)5-13-18(14,15)11-4-10(6-12-2)17-8-11/h4,8-9,12-13H,5-7H2,1-3H3
InChIKeyPUESJJZNOLNDEK-UHFFFAOYSA-N
MW308.49 g/mol
LogP1.74
Rot. Bonds8

About 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide

5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide (PubChem CID 114141371) has the molecular formula C11H20N2O2S3 and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
PubChem CID114141371
Molecular FormulaC11H20N2O2S3
Molecular Weight308.49 g/mol
Exact Mass308.07
IUPAC Name5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)CSC)cs1
InChIInChI=1S/C11H20N2O2S3/c1-9(7-16-3)5-13-18(14,15)11-4-10(6-12-2)17-8-11/h4,8-9,12-13H,5-7H2,1-3H3
InChIKeyPUESJJZNOLNDEK-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055603
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106064892
N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 114141304
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090614
N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079565
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106051741
N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106017154
2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064886

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide (CID 114141371) is 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC(C)CSC)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide?
The InChIKey is PUESJJZNOLNDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S3/c1-9(7-16-3)5-13-18(14,15)11-4-10(6-12-2)17-8-11/h4,8-9,12-13H,5-7H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide has a molecular weight of 308.49 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114141371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).